#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1j n HIS 2 N 0.00 0.00 -4.45 1.12 -0.00 -1.26 -5.04 115.22 105.59 1o1j n HIS 2 Ca 0.00 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.90 1o1j n HIS 2 Cb 0.00 -0.59 -0.13 0.00 -0.12 0.00 0.00 29.99 29.14 1o1j n HIS 2 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1o1j s LEU 3 N 0.00 2.28 0.85 0.27 1.43 -1.26 -5.12 118.68 117.13 1o1j s LEU 3 Ca 0.00 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 1o1j s LEU 3 Cb 0.00 -1.13 0.10 0.00 0.03 0.00 0.00 46.19 45.19 1o1j s LEU 3 CO 0.00 0.16 1.12 0.42 0.23 0.00 0.00 176.35 178.28 1o1j s THR 4 N -1.03 2.67 0.24 5.49 -4.23 -1.26 -4.74 115.64 112.78 1o1j s THR 4 Ca 0.11 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1o1j s THR 4 Cb -0.10 -2.47 0.20 0.00 1.34 0.00 0.00 72.50 71.47 1o1j s THR 4 CO 0.05 -0.29 1.77 -0.65 -0.54 0.00 0.00 174.62 174.97 1o1j h PRO 5 N -1.52 0.59 -0.35 3.99 0.11 -2.00 -0.10 132.00 132.72 1o1j h PRO 5 Ca -0.43 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1o1j h PRO 5 Cb 1.25 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1o1j h PRO 5 CO 0.46 0.39 0.01 0.93 -0.21 0.00 0.00 178.00 179.58 1o1j h GLU 6 N 0.61 0.10 -0.22 1.05 3.07 -1.99 -0.84 114.58 116.36 1o1j h GLU 6 Ca 0.38 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.20 1o1j h GLU 6 Cb 0.44 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1o1j h GLU 6 CO -0.30 0.07 -0.01 0.93 -1.40 0.00 0.00 179.01 178.30 1o1j h GLU 7 N 0.11 0.41 -0.20 2.33 5.08 -1.75 -2.14 114.58 118.41 1o1j h GLU 7 Ca 0.17 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1o1j h GLU 7 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1o1j h GLU 7 CO -0.28 0.61 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.84 1o1j h LYS 8 N 0.16 0.39 -0.44 2.33 3.64 -0.94 -2.42 116.57 119.30 1o1j h LYS 8 Ca 0.06 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1o1j h LYS 8 Cb 0.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1o1j h LYS 8 CO 0.01 0.64 0.21 1.03 -2.27 0.00 0.00 179.45 179.08 1o1j h SER 9 N 0.34 0.57 -0.76 4.20 0.87 -1.10 -2.05 113.55 115.62 1o1j h SER 9 Ca 0.05 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1o1j h SER 9 Cb 0.68 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1o1j h SER 9 CO 0.05 0.54 0.39 0.00 -0.53 0.00 0.00 176.83 177.28 1o1j h ALA 10 N 1.06 0.98 0.26 6.23 0.00 -1.14 -1.20 119.26 125.45 1o1j h ALA 10 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1o1j h ALA 10 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1o1j h ALA 10 CO -0.02 0.52 -0.12 0.28 0.00 0.00 0.00 179.25 179.91 1o1j h VAL 11 N 1.07 0.80 -0.51 0.00 2.07 -1.34 -2.47 116.25 115.87 1o1j h VAL 11 Ca 0.26 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1o1j h VAL 11 Cb 0.08 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1o1j h VAL 11 CO -0.04 0.10 -0.09 0.71 0.02 0.00 0.00 177.57 178.27 1o1j h THR 12 N -0.58 1.26 -0.56 2.57 1.35 -1.34 -1.46 112.91 114.15 1o1j h THR 12 Ca -0.04 -1.21 -0.02 0.00 -0.55 0.00 0.00 66.41 64.59 1o1j h THR 12 Cb 0.42 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 67.79 1o1j h THR 12 CO 0.06 0.42 0.27 0.00 -0.25 0.00 0.00 175.52 176.02 1o1j h ALA 13 N 1.05 0.72 -0.03 6.62 0.00 -1.23 -2.65 119.26 123.75 1o1j h ALA 13 Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1o1j h ALA 13 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1o1j h ALA 13 CO 0.04 0.29 -0.65 1.25 0.00 0.00 0.00 179.25 180.18 1o1j h LEU 14 N 0.76 0.13 -1.18 0.00 5.85 -1.26 -3.22 115.31 116.38 1o1j h LEU 14 Ca 0.19 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1o1j h LEU 14 Cb 0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1o1j h LEU 14 CO -0.02 0.74 -0.25 -0.25 -0.34 0.00 0.00 178.44 178.32 1o1j h TRP 15 N 0.08 0.27 -0.01 1.25 2.91 -0.91 -1.89 115.95 117.64 1o1j h TRP 15 Ca -0.01 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1o1j h TRP 15 Cb 1.16 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.74 1o1j h TRP 15 CO 0.01 0.49 0.07 0.78 -1.03 0.00 0.00 178.44 178.76 1o1j h GLY 16 N 0.97 0.00 0.08 2.65 0.00 -1.52 0.17 103.07 105.42 1o1j h GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1o1j h GLY 16 CO 0.04 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.45 1o1j n LYS 17 N -3.15 0.70 -2.88 4.80 5.02 -0.71 -4.92 118.16 117.02 1o1j n LYS 17 Ca -0.03 -0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 55.37 1o1j n LYS 17 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1o1j n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1j s VAL 18 N -2.62 4.88 -0.55 -0.18 1.01 0.05 -5.00 120.40 117.99 1o1j s VAL 18 Ca 0.19 1.67 -0.28 0.00 0.00 0.00 0.00 61.98 63.56 1o1j s VAL 18 Cb 0.18 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1o1j s VAL 18 CO 0.59 0.04 1.34 0.21 0.00 0.00 0.00 175.10 177.29 1o1j s ASN 19 N 1.12 6.25 0.47 3.32 3.84 -1.26 -4.90 114.94 123.79 1o1j s ASN 19 Ca 0.39 0.27 0.15 0.00 0.21 0.00 0.00 52.86 53.89 1o1j s ASN 19 Cb -0.17 -2.55 1.11 0.00 -0.55 0.00 0.00 41.25 39.09 1o1j s ASN 19 CO 0.14 -1.61 2.05 0.58 -2.79 0.00 0.00 177.10 175.46 1o1j h VAL 20 N 6.31 1.07 0.20 -5.21 2.07 -1.95 -1.79 116.25 116.95 1o1j h VAL 20 Ca -0.26 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1o1j h VAL 20 Cb 1.08 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1o1j h VAL 20 CO 1.17 0.12 -0.10 0.44 0.02 0.00 0.00 177.57 179.23 1o1j h ASP 21 N 0.00 -0.23 -0.06 0.57 5.19 -1.90 -1.77 116.42 118.22 1o1j h ASP 21 Ca -0.00 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1o1j h ASP 21 Cb 0.22 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 1o1j h ASP 21 CO 0.02 0.12 0.00 -0.08 -3.12 0.00 0.00 179.24 176.18 1o1j h GLU 22 N -0.59 0.11 -0.52 3.56 4.81 -1.89 -2.90 114.58 117.14 1o1j h GLU 22 Ca -0.03 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1o1j h GLU 22 Cb 0.44 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1o1j h GLU 22 CO 0.05 0.36 -0.13 0.28 -0.73 0.00 0.00 179.01 178.84 1o1j h VAL 23 N -0.17 1.27 -0.07 0.32 2.07 -1.44 -2.20 116.25 116.03 1o1j h VAL 23 Ca 0.02 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1o1j h VAL 23 Cb 0.31 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1o1j h VAL 23 CO 0.00 0.45 0.02 1.23 0.02 0.00 0.00 177.57 179.29 1o1j h GLY 24 N 0.87 0.08 1.29 2.17 0.00 -1.32 0.26 103.07 106.42 1o1j h GLY 24 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1o1j h GLY 24 CO 0.05 0.01 -0.09 -1.33 0.00 0.00 0.00 176.54 175.18 1o1j h GLY 25 N 0.05 0.91 0.99 4.60 0.00 -1.55 -1.93 103.07 106.14 1o1j h GLY 25 Ca 0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 1o1j h GLY 25 CO -0.03 0.63 0.27 -2.09 0.00 0.00 0.00 176.54 175.32 1o1j h GLU 26 N 0.76 0.59 -0.33 4.80 4.57 -0.98 -0.64 114.58 123.35 1o1j h GLU 26 Ca 0.13 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1o1j h GLU 26 Cb 0.59 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1o1j h GLU 26 CO 0.04 0.42 -0.08 0.00 -1.18 0.00 0.00 179.01 178.21 1o1j h ALA 27 N 1.13 0.46 -0.60 2.92 0.00 -0.78 -1.75 119.26 120.65 1o1j h ALA 27 Ca 0.16 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1o1j h ALA 27 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1o1j h ALA 27 CO -0.03 0.29 0.06 1.25 0.00 0.00 0.00 179.25 180.82 1o1j h LEU 28 N 0.42 0.98 -0.48 0.00 5.85 -1.30 -2.06 115.31 118.73 1o1j h LEU 28 Ca 0.08 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1o1j h LEU 28 Cb 0.58 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1o1j h LEU 28 CO 0.03 1.02 0.30 1.23 -0.34 0.00 0.00 178.44 180.68 1o1j h GLY 29 N 0.91 0.67 1.71 3.75 0.00 -0.97 -2.28 103.07 106.86 1o1j h GLY 29 Ca 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1o1j h GLY 29 CO 0.02 0.21 -0.18 3.21 0.00 0.00 0.00 176.54 179.80 1o1j h ARG 30 N 0.61 0.35 -0.61 4.80 3.08 -1.28 -1.60 114.38 119.72 1o1j h ARG 30 Ca 0.18 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1o1j h ARG 30 Cb -0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1o1j h ARG 30 CO -0.06 0.53 0.40 1.25 -1.07 0.00 0.00 179.97 181.02 1o1j h LEU 31 N 0.32 0.71 -1.05 3.04 5.85 -0.82 0.24 115.31 123.60 1o1j h LEU 31 Ca 0.06 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1o1j h LEU 31 Cb 0.52 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1o1j h LEU 31 CO 0.03 0.53 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.22 1o1j h LEU 32 N 0.83 0.00 0.02 2.25 3.38 -1.02 -1.07 115.31 119.70 1o1j h LEU 32 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1o1j h LEU 32 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1o1j h LEU 32 CO -0.05 0.37 -0.68 0.58 0.09 0.00 0.00 178.44 178.75 1o1j h VAL 33 N 0.00 1.36 -0.00 1.22 2.07 -0.95 -3.31 116.25 116.65 1o1j h VAL 33 Ca -0.00 -2.30 -0.21 0.00 0.82 0.00 0.00 66.70 65.01 1o1j h VAL 33 Cb 0.83 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 1o1j h VAL 33 CO 0.05 0.52 -0.89 0.58 0.02 0.00 0.00 177.57 177.84 1o1j h VAL 34 N -0.88 1.46 -2.71 2.57 2.07 -0.55 -3.37 116.25 114.84 1o1j h VAL 34 Ca -0.17 -2.54 -0.61 0.00 0.82 0.00 0.00 66.70 64.20 1o1j h VAL 34 Cb 1.24 2.43 -0.41 0.00 -1.52 0.00 0.00 31.29 33.03 1o1j h VAL 34 CO -0.06 0.75 -0.68 -1.22 0.02 0.00 0.00 177.57 176.37 1o1j n TYR 35 N -3.70 2.39 0.30 1.57 4.01 -0.41 -4.98 117.16 116.34 1o1j n TYR 35 Ca -0.05 -4.06 0.13 0.00 -0.16 0.00 0.00 57.90 53.76 1o1j n TYR 35 Cb 0.81 -0.44 0.58 0.00 -0.31 0.00 0.00 39.34 39.98 1o1j n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1o1j h PRO 36 N 5.10 0.00 0.00 -0.72 0.14 -1.73 -0.76 132.00 134.02 1o1j h PRO 36 Ca 0.18 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.32 1o1j h PRO 36 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.91 1o1j h PRO 36 CO 0.67 0.00 0.00 0.11 0.14 0.00 0.00 178.00 178.92 1o1j h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.09 115.95 114.60 1o1j h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1j h TRP 37 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 1o1j h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1j n THR 38 N -2.89 1.00 0.32 0.12 -2.24 -0.29 -2.11 114.28 108.18 1o1j n THR 38 Ca 0.00 0.38 0.08 0.00 -2.27 0.00 0.00 64.05 62.25 1o1j n THR 38 Cb 0.26 -1.31 0.37 0.00 -2.10 0.00 0.00 70.33 67.55 1o1j n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1j n GLN 39 N -2.08 0.09 0.27 -0.78 6.02 -0.41 -3.15 117.38 117.34 1o1j n GLN 39 Ca 0.01 0.42 0.19 0.00 -0.01 0.00 0.00 57.00 57.61 1o1j n GLN 39 Cb 0.15 -1.71 0.97 0.00 1.02 0.00 0.00 30.24 30.68 1o1j n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1j h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.64 -1.52 114.38 110.22 1o1j h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1j h ARG 40 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1o1j h ARG 40 CO 0.00 0.00 -0.04 1.19 0.10 0.00 0.00 179.97 181.22 1o1j n PHE 41 N -2.79 0.00 -2.18 4.08 3.72 -1.19 -4.43 117.46 114.67 1o1j n PHE 41 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1o1j n PHE 41 Cb 0.07 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.70 1o1j n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1j n PHE 42 N 0.85 0.83 0.08 1.38 3.72 -0.57 -4.83 117.46 118.92 1o1j n PHE 42 Ca 0.15 -1.49 0.13 0.00 -0.05 0.00 0.00 57.45 56.19 1o1j n PHE 42 Cb 0.51 -0.24 0.62 0.00 -0.94 0.00 0.00 39.48 39.44 1o1j n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1j h GLU 43 N 1.56 0.10 -0.26 -1.08 4.39 -1.77 -1.53 114.58 115.98 1o1j h GLU 43 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1o1j h GLU 43 Cb 1.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1o1j h GLU 43 CO 0.22 0.07 0.00 -1.13 -1.16 0.00 0.00 179.01 177.01 1o1j n SER 44 N -4.46 1.50 -0.19 1.42 3.41 -1.26 -4.20 113.62 109.84 1o1j n SER 44 Ca 0.05 -1.94 0.14 0.00 -0.26 0.00 0.00 58.87 56.85 1o1j n SER 44 Cb 0.34 -0.17 0.54 0.00 -0.26 0.00 0.00 64.21 64.65 1o1j n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1j n PHE 45 N 0.30 0.00 0.00 7.33 3.01 -0.58 -5.05 117.46 122.47 1o1j n PHE 45 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1o1j n PHE 45 Cb 0.25 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1o1j n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1j n GLY 46 N 1.28 -1.74 3.68 1.37 0.00 -1.26 -4.73 105.19 103.78 1o1j n GLY 46 Ca 0.15 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1o1j n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1j s ASP 47 N -4.00 7.00 -0.09 1.61 2.15 -1.26 -4.89 116.67 117.18 1o1j s ASP 47 Ca 0.00 1.76 0.20 0.00 0.43 0.00 0.00 52.55 54.95 1o1j s ASP 47 Cb 0.00 -2.55 0.43 0.00 -0.30 0.00 0.00 42.92 40.50 1o1j s ASP 47 CO 0.00 -0.67 1.18 0.18 -0.17 0.00 0.00 175.17 175.70 1o1j n LEU 48 N 5.84 1.74 0.09 -1.34 4.77 -1.26 -4.07 117.00 122.77 1o1j n LEU 48 Ca 0.12 -2.79 -0.07 0.00 -0.03 0.00 0.00 56.01 53.24 1o1j n LEU 48 Cb 0.46 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1o1j n LEU 48 CO 0.56 0.89 0.28 0.77 -1.33 0.00 0.00 177.39 178.55 1o1j h SER 49 N 1.13 0.19 -3.99 -1.43 4.64 -1.94 -3.44 113.55 108.71 1o1j h SER 49 Ca -0.13 -0.15 -0.39 0.00 -0.47 0.00 0.00 61.79 60.66 1o1j h SER 49 Cb 1.55 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.41 1o1j h SER 49 CO 0.09 0.95 -0.74 0.42 -0.87 0.00 0.00 176.83 176.68 1o1j s THR 50 N -3.21 1.29 0.40 2.95 -4.23 -1.26 -5.03 115.64 106.54 1o1j s THR 50 Ca -0.02 -1.83 0.17 0.00 -1.18 0.00 0.00 61.69 58.83 1o1j s THR 50 Cb 0.10 -1.63 0.38 0.00 1.34 0.00 0.00 72.50 72.69 1o1j s THR 50 CO 0.82 -0.53 1.80 -0.65 -0.54 0.00 0.00 174.62 175.52 1o1j h PRO 51 N 3.26 0.42 -0.13 3.99 0.11 -1.97 0.49 132.00 138.17 1o1j h PRO 51 Ca -0.39 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1o1j h PRO 51 Cb 1.20 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1o1j h PRO 51 CO 0.55 0.28 -0.54 -0.44 -0.21 0.00 0.00 178.00 177.64 1o1j h ASP 52 N 0.43 0.69 -0.06 -2.05 3.32 -1.98 -0.30 116.42 116.48 1o1j h ASP 52 Ca 0.55 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1o1j h ASP 52 Cb 1.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1o1j h ASP 52 CO -0.26 1.21 -0.02 0.00 -1.72 0.00 0.00 179.24 178.44 1o1j h ALA 53 N 0.50 0.03 -0.26 3.45 0.00 -1.59 -2.52 119.26 118.87 1o1j h ALA 53 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1o1j h ALA 53 Cb 1.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1o1j h ALA 53 CO 0.11 -0.50 0.06 0.28 0.00 0.00 0.00 179.25 179.20 1o1j h VAL 54 N -0.02 0.88 -0.02 0.00 2.07 -0.90 -1.43 116.25 116.83 1o1j h VAL 54 Ca 0.03 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1o1j h VAL 54 Cb 0.06 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1o1j h VAL 54 CO -0.07 0.03 -0.49 0.24 0.02 0.00 0.00 177.57 177.30 1o1j h MET 55 N 0.16 0.04 -0.40 1.57 2.07 -0.88 -2.31 114.93 115.18 1o1j h MET 55 Ca 0.12 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1o1j h MET 55 Cb 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1o1j h MET 55 CO -0.16 0.52 0.00 0.41 1.07 0.00 0.00 176.91 178.76 1o1j n GLY 56 N -0.10 1.58 3.63 8.32 0.00 -0.97 -4.85 105.19 112.80 1o1j n GLY 56 Ca -0.02 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1o1j n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1j s ASN 57 N -1.42 6.56 0.43 1.61 3.84 -0.55 -4.90 114.94 120.51 1o1j s ASN 57 Ca 0.39 1.40 0.18 0.00 0.21 0.00 0.00 52.86 55.04 1o1j s ASN 57 Cb 0.22 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.35 1o1j s ASN 57 CO 0.31 -1.14 1.90 1.55 -2.79 0.00 0.00 177.10 176.93 1o1j h PRO 58 N 9.83 0.00 -0.22 0.43 0.13 -1.90 -0.63 132.00 139.64 1o1j h PRO 58 Ca -0.29 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 1o1j h PRO 58 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1o1j h PRO 58 CO 1.02 0.27 -0.48 0.87 -0.23 0.00 0.00 178.00 179.45 1o1j h LYS 59 N 0.00 0.57 -0.21 0.86 6.56 -1.91 0.24 116.57 122.69 1o1j h LYS 59 Ca -0.00 -0.33 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 1o1j h LYS 59 Cb 0.56 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1o1j h LYS 59 CO 0.04 0.93 0.11 0.28 -2.06 0.00 0.00 179.45 178.74 1o1j h VAL 60 N 0.46 1.12 -0.69 0.50 2.07 -1.61 0.45 116.25 118.54 1o1j h VAL 60 Ca 0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1o1j h VAL 60 Cb 1.01 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1o1j h VAL 60 CO 0.09 0.12 0.33 0.11 0.02 0.00 0.00 177.57 178.24 1o1j h LYS 61 N 0.22 0.99 -0.38 1.57 1.57 -0.82 0.39 116.57 120.10 1o1j h LYS 61 Ca 0.07 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1o1j h LYS 61 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1o1j h LYS 61 CO -0.01 0.78 0.05 0.00 -0.57 0.00 0.00 179.45 179.70 1o1j h ALA 62 N 1.16 0.51 -0.57 3.86 0.00 -0.31 -2.19 119.26 121.71 1o1j h ALA 62 Ca 0.24 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1o1j h ALA 62 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1o1j h ALA 62 CO -0.03 0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.73 1o1j h HIS 63 N 0.48 1.07 -0.81 0.00 -0.00 -0.72 -2.73 115.15 112.44 1o1j h HIS 63 Ca 0.11 -0.18 0.10 0.00 -0.00 0.00 0.00 60.37 60.41 1o1j h HIS 63 Cb 0.39 -0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 27.44 1o1j h HIS 63 CO 0.03 0.95 0.46 0.78 -0.00 0.00 0.00 177.93 180.15 1o1j h GLY 64 N 0.88 1.26 1.38 5.26 0.00 -0.80 -0.58 103.07 110.47 1o1j h GLY 64 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1o1j h GLY 64 CO 0.02 0.11 0.07 1.70 0.00 0.00 0.00 176.54 178.44 1o1j h LYS 65 N 0.76 0.78 -0.23 4.80 3.64 -1.16 -1.28 116.57 123.87 1o1j h LYS 65 Ca 0.40 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1o1j h LYS 65 Cb 0.38 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1o1j h LYS 65 CO -0.26 0.74 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.24 1o1j h LYS 66 N 0.74 0.54 -0.06 1.90 3.64 -1.10 0.16 116.57 122.39 1o1j h LYS 66 Ca 0.16 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1o1j h LYS 66 Cb 0.35 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1o1j h LYS 66 CO 0.01 0.86 0.04 0.28 -2.27 0.00 0.00 179.45 178.36 1o1j h VAL 67 N 0.24 1.07 0.00 2.00 2.07 -0.97 -1.97 116.25 118.69 1o1j h VAL 67 Ca 0.04 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1o1j h VAL 67 Cb 0.75 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1o1j h VAL 67 CO 0.05 0.06 -0.27 0.25 0.02 0.00 0.00 177.57 177.67 1o1j h LEU 68 N 0.03 0.00 -0.49 2.57 5.85 -1.15 -1.51 115.31 120.61 1o1j h LEU 68 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1o1j h LEU 68 Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1o1j h LEU 68 CO -0.00 0.27 0.29 1.23 -0.34 0.00 0.00 178.44 179.89 1o1j h GLY 69 N 1.89 0.71 1.73 3.75 0.00 -0.64 0.16 103.07 110.67 1o1j h GLY 69 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1o1j h GLY 69 CO 0.04 0.29 -0.48 0.00 0.00 0.00 0.00 176.54 176.39 1o1j h ALA 70 N 1.14 0.97 -0.45 3.60 0.00 -0.70 -2.11 119.26 121.71 1o1j h ALA 70 Ca 0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1o1j h ALA 70 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1o1j h ALA 70 CO -0.03 0.65 0.12 0.35 0.00 0.00 0.00 179.25 180.34 1o1j h PHE 71 N 0.24 0.74 -0.62 0.00 3.57 -0.97 -2.65 116.94 117.25 1o1j h PHE 71 Ca 0.01 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.51 1o1j h PHE 71 Cb 0.94 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1o1j h PHE 71 CO 0.02 0.68 0.29 1.03 -2.23 0.00 0.00 178.31 178.09 1o1j h SER 72 N 0.59 0.36 -0.33 0.41 0.87 -0.33 -1.24 113.55 113.88 1o1j h SER 72 Ca 0.14 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1o1j h SER 72 Cb 0.30 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1o1j h SER 72 CO -0.00 0.22 0.14 0.44 -0.53 0.00 0.00 176.83 177.11 1o1j h ASP 73 N 0.51 0.50 0.32 6.23 5.19 -1.22 -0.99 116.42 126.96 1o1j h ASP 73 Ca 0.30 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1o1j h ASP 73 Cb 0.30 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1o1j h ASP 73 CO -0.25 0.46 -0.17 1.23 -3.12 0.00 0.00 179.24 177.40 1o1j h GLY 74 N 0.71 0.00 2.00 2.75 0.00 -0.88 -1.78 103.07 105.87 1o1j h GLY 74 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1o1j h GLY 74 CO -0.01 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.88 1o1j h LEU 75 N 0.00 0.00 -0.69 3.11 3.38 -0.67 -1.74 115.31 118.70 1o1j h LEU 75 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1o1j h LEU 75 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1o1j h LEU 75 CO 0.02 0.05 -0.16 0.00 0.09 0.00 0.00 178.44 178.45 1o1j h ALA 76 N 1.95 0.95 -1.15 1.53 0.00 -1.38 -3.33 119.26 117.83 1o1j h ALA 76 Ca -0.00 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.29 1o1j h ALA 76 Cb 0.29 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.64 1o1j h ALA 76 CO 0.01 0.20 -0.93 0.72 0.00 0.00 0.00 179.25 179.25 1o1j n HIS 77 N -3.21 2.41 0.29 0.00 8.25 -0.66 -4.87 115.22 117.43 1o1j n HIS 77 Ca 0.02 -2.80 0.18 0.00 -0.26 0.00 0.00 57.72 54.86 1o1j n HIS 77 Cb 0.48 -0.22 0.96 0.00 1.12 0.00 0.00 29.99 32.33 1o1j n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1j h LEU 78 N 2.66 0.00 0.00 2.41 4.07 -1.67 0.18 115.31 122.96 1o1j h LEU 78 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1o1j h LEU 78 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1o1j h LEU 78 CO 0.66 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.49 1o1j n ASP 79 N -3.38 0.00 -2.89 -0.43 8.00 -1.26 -2.52 116.55 114.07 1o1j n ASP 79 Ca -0.01 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.67 1o1j n ASP 79 Cb 0.23 -0.43 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1o1j n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1j n ASN 80 N -1.43 -1.71 -0.13 -2.24 2.85 0.61 -4.17 115.26 109.04 1o1j n ASN 80 Ca 0.09 -3.22 -0.12 0.00 -0.11 0.00 0.00 54.58 51.21 1o1j n ASN 80 Cb 0.29 1.04 -0.02 0.00 1.24 0.00 0.00 39.78 42.33 1o1j n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1o1j h LEU 81 N 3.69 0.85 -0.14 1.20 3.38 -1.74 -1.57 115.31 120.98 1o1j h LEU 81 Ca -0.06 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1o1j h LEU 81 Cb 1.00 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1o1j h LEU 81 CO 0.34 1.08 -0.33 0.11 0.09 0.00 0.00 178.44 179.72 1o1j h LYS 82 N 0.63 -0.39 -0.18 1.13 1.57 -1.91 0.80 116.57 118.22 1o1j h LYS 82 Ca 0.08 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1o1j h LYS 82 Cb 0.76 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1o1j h LYS 82 CO 0.06 -0.26 -0.30 0.78 -0.57 0.00 0.00 179.45 179.16 1o1j h GLY 83 N -0.40 0.37 1.57 3.86 0.00 -1.95 -1.79 103.07 104.72 1o1j h GLY 83 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1o1j h GLY 83 CO -0.37 0.28 -0.43 -0.84 0.00 0.00 0.00 176.54 175.19 1o1j h THR 84 N 0.30 1.31 -0.59 4.70 2.02 -0.45 -3.22 112.91 116.98 1o1j h THR 84 Ca 0.04 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1o1j h THR 84 Cb 0.68 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1o1j h THR 84 CO 0.05 0.50 0.00 0.49 0.37 0.00 0.00 175.52 176.93 1o1j n PHE 85 N -4.01 0.78 -0.06 3.16 3.72 0.20 -4.65 117.46 116.59 1o1j n PHE 85 Ca -0.02 -0.44 -0.07 0.00 -0.05 0.00 0.00 57.45 56.87 1o1j n PHE 85 Cb 0.52 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 1o1j n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1j h ALA 86 N 3.93 0.04 -0.74 4.37 0.00 -1.34 0.26 119.26 125.78 1o1j h ALA 86 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1o1j h ALA 86 Cb 0.94 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1o1j h ALA 86 CO 0.00 -0.56 0.21 1.15 0.00 0.00 0.00 179.25 180.05 1o1j h THR 87 N -0.13 1.26 -0.07 0.00 2.02 -1.85 -1.76 112.91 112.39 1o1j h THR 87 Ca 0.14 -0.94 -0.13 0.00 0.77 0.00 0.00 66.41 66.26 1o1j h THR 87 Cb 0.35 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1o1j h THR 87 CO -0.35 0.37 -0.52 -0.07 0.37 0.00 0.00 175.52 175.32 1o1j h LEU 88 N 1.11 0.21 -0.19 2.58 3.38 -1.76 -1.38 115.31 119.25 1o1j h LEU 88 Ca 0.24 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1o1j h LEU 88 Cb 0.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1o1j h LEU 88 CO -0.00 0.69 0.10 -1.28 0.09 0.00 0.00 178.44 178.04 1o1j h SER 89 N 0.15 0.16 -0.77 -0.43 0.87 0.06 0.47 113.55 114.06 1o1j h SER 89 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1o1j h SER 89 Cb 0.97 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 1o1j h SER 89 CO 0.08 0.12 0.26 -0.33 -0.53 0.00 0.00 176.83 176.43 1o1j h GLU 90 N 0.22 1.18 -0.23 2.24 5.08 -1.18 -1.95 114.58 119.94 1o1j h GLU 90 Ca 0.08 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1o1j h GLU 90 Cb 0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1o1j h GLU 90 CO -0.04 0.99 0.07 1.25 -1.00 0.00 0.00 179.01 180.27 1o1j h LEU 91 N 1.14 0.07 -1.26 1.33 5.85 -0.92 0.16 115.31 121.67 1o1j h LEU 91 Ca 0.25 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1o1j h LEU 91 Cb 0.29 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1o1j h LEU 91 CO -0.01 0.07 -0.35 0.45 -0.34 0.00 0.00 178.44 178.26 1o1j h HIS 92 N 0.17 0.00 0.00 1.25 3.86 -0.43 -2.02 115.15 117.98 1o1j h HIS 92 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1o1j h HIS 92 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1o1j h HIS 92 CO -0.13 0.35 -0.00 0.00 0.86 0.00 0.00 177.93 179.01 1o1j h ASP 94 N -1.00 0.13 0.00 0.00 3.32 -0.70 -3.00 116.42 115.17 1o1j h ASP 94 Ca -0.00 -0.13 -0.28 0.00 0.02 0.00 0.00 57.03 56.64 1o1j h ASP 94 Cb 0.16 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1o1j h ASP 94 CO 0.00 1.02 -2.04 0.29 -1.72 0.00 0.00 179.24 176.79 1o1j n LYS 95 N -3.50 0.45 0.05 3.56 4.76 -0.81 -4.70 118.16 117.96 1o1j n LYS 95 Ca -0.02 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1o1j n LYS 95 Cb 0.89 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.71 1o1j n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1j n LEU 96 N -3.14 0.56 -3.76 -0.35 4.77 -0.90 -4.98 117.00 109.19 1o1j n LEU 96 Ca -0.33 0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.52 1o1j n LEU 96 Cb 0.83 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.90 1o1j n LEU 96 CO 0.16 -0.06 0.02 1.41 -1.33 0.00 0.00 177.39 177.60 1o1j n HIS 97 N -2.31 -2.13 -3.28 -1.77 8.25 -0.44 -4.95 115.22 108.60 1o1j n HIS 97 Ca -0.00 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 1o1j n HIS 97 Cb 0.51 -4.31 -0.07 0.00 1.12 0.00 0.00 29.99 27.24 1o1j n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1j s VAL 98 N -3.50 5.12 -0.03 1.59 1.01 -0.46 -5.02 120.40 119.09 1o1j s VAL 98 Ca 0.28 0.87 -0.32 0.00 0.00 0.00 0.00 61.98 62.82 1o1j s VAL 98 Cb -0.14 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 1o1j s VAL 98 CO 0.81 0.16 1.96 -0.67 0.00 0.00 0.00 175.10 177.37 1o1j n ASP 99 N 4.97 3.82 0.29 3.32 -0.08 -1.26 -4.75 116.55 122.85 1o1j n ASP 99 Ca -0.05 0.88 0.17 0.00 -1.51 0.00 0.00 54.79 54.27 1o1j n ASP 99 Cb 0.50 -1.47 0.89 0.00 2.34 0.00 0.00 41.12 43.38 1o1j n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1j h PRO 100 N 10.42 0.00 -0.05 -0.67 0.11 -1.97 -0.32 132.00 139.53 1o1j h PRO 100 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1o1j h PRO 100 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1o1j h PRO 100 CO 0.95 0.00 0.06 1.49 -0.21 0.00 0.00 178.00 180.29 1o1j h GLU 101 N 0.00 0.00 -0.05 1.05 4.57 -1.99 -1.33 114.58 116.84 1o1j h GLU 101 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1o1j h GLU 101 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1o1j h GLU 101 CO 0.00 0.00 -0.23 -0.91 -1.18 0.00 0.00 179.01 176.69 1o1j h ASN 102 N 0.00 0.08 -0.21 1.04 2.35 -1.42 -2.37 115.58 115.04 1o1j h ASN 102 Ca 0.02 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1o1j h ASN 102 Cb 0.15 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1o1j h ASN 102 CO -0.00 0.32 -0.05 -0.26 -1.65 0.00 0.00 177.43 175.78 1o1j h PHE 103 N 0.08 0.58 -0.23 1.19 0.04 -1.43 -0.49 116.94 116.68 1o1j h PHE 103 Ca 0.01 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 1o1j h PHE 103 Cb 0.46 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1o1j h PHE 103 CO 0.00 0.60 -0.42 0.00 -0.60 0.00 0.00 178.31 177.89 1o1j h ARG 104 N 0.52 0.70 -0.74 1.51 3.08 -1.50 -1.41 114.38 116.53 1o1j h ARG 104 Ca 0.10 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1o1j h ARG 104 Cb 0.42 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1o1j h ARG 104 CO 0.02 1.06 0.23 -0.07 -1.07 0.00 0.00 179.97 180.14 1o1j h LEU 105 N 0.42 1.07 -0.50 3.04 3.38 -1.20 -1.98 115.31 119.54 1o1j h LEU 105 Ca 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1o1j h LEU 105 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1o1j h LEU 105 CO 0.10 0.99 0.13 -0.25 0.09 0.00 0.00 178.44 179.50 1o1j h TRP 106 N 1.10 0.83 -0.65 1.13 7.01 -1.04 -1.28 115.95 123.04 1o1j h TRP 106 Ca 0.24 -0.09 0.08 0.00 2.11 0.00 0.00 58.89 61.22 1o1j h TRP 106 Cb 0.30 -0.23 -0.06 0.00 -2.10 0.00 0.00 29.16 27.07 1o1j h TRP 106 CO 0.02 0.73 0.32 0.78 -2.79 0.00 0.00 178.44 177.51 1o1j h GLY 107 N 0.68 0.95 1.30 2.65 0.00 -0.98 0.50 103.07 108.17 1o1j h GLY 107 Ca 0.16 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1o1j h GLY 107 CO -0.00 0.08 -0.40 3.43 0.00 0.00 0.00 176.54 179.65 1o1j h ASN 108 N 0.58 0.82 -0.70 0.19 2.35 -1.04 -2.14 115.58 115.63 1o1j h ASN 108 Ca 0.31 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1o1j h ASN 108 Cb 0.28 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1o1j h ASN 108 CO -0.23 1.12 0.22 0.58 -1.65 0.00 0.00 177.43 177.46 1o1j h VAL 109 N 0.62 1.26 -0.74 2.81 2.07 -0.79 -1.98 116.25 119.51 1o1j h VAL 109 Ca 0.05 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1o1j h VAL 109 Cb 0.96 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1o1j h VAL 109 CO 0.09 0.34 0.43 0.25 0.02 0.00 0.00 177.57 178.70 1o1j h LEU 110 N 1.02 0.66 -1.06 2.57 5.85 -0.69 -0.51 115.31 123.15 1o1j h LEU 110 Ca 0.22 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1o1j h LEU 110 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1o1j h LEU 110 CO -0.01 0.42 0.10 0.58 -0.34 0.00 0.00 178.44 179.19 1o1j h VAL 111 N 0.79 1.22 -0.84 1.05 2.07 -1.03 0.02 116.25 119.53 1o1j h VAL 111 Ca 0.33 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1o1j h VAL 111 Cb 0.18 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1o1j h VAL 111 CO -0.18 0.30 0.39 0.00 0.02 0.00 0.00 177.57 178.11 1o1j h VAL 113 N 1.20 1.29 -0.62 0.00 2.07 -0.30 -1.36 116.25 118.53 1o1j h VAL 113 Ca 0.29 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1o1j h VAL 113 Cb 0.13 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1o1j h VAL 113 CO -0.03 0.55 0.33 -0.07 0.02 0.00 0.00 177.57 178.37 1o1j h LEU 114 N 0.61 0.79 -0.81 2.57 3.38 -0.88 -0.03 115.31 120.93 1o1j h LEU 114 Ca 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1o1j h LEU 114 Cb 1.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1o1j h LEU 114 CO 0.11 0.67 0.24 0.00 0.09 0.00 0.00 178.44 179.55 1o1j h ALA 115 N 1.15 1.04 -0.43 1.53 0.00 -1.22 -0.28 119.26 121.05 1o1j h ALA 115 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1o1j h ALA 115 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1o1j h ALA 115 CO -0.03 0.65 0.08 1.25 0.00 0.00 0.00 179.25 181.20 1o1j h HIS 116 N 1.09 0.75 -0.16 0.00 -0.00 -0.79 0.11 115.15 116.13 1o1j h HIS 116 Ca 0.24 -0.10 -0.20 0.00 -0.00 0.00 0.00 60.37 60.31 1o1j h HIS 116 Cb 0.28 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1o1j h HIS 116 CO 0.02 0.71 -0.71 1.25 -0.00 0.00 0.00 177.93 179.20 1o1j h HIS 117 N 0.57 0.94 0.00 5.26 6.17 -0.86 -3.35 115.15 123.87 1o1j h HIS 117 Ca 0.13 -0.40 0.00 0.00 0.71 0.00 0.00 60.37 60.82 1o1j h HIS 117 Cb 0.36 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.13 1o1j h HIS 117 CO 0.02 1.21 -1.07 1.19 0.71 0.00 0.00 177.93 179.99 1o1j n PHE 118 N -3.93 0.00 -4.90 5.26 3.72 -0.13 -5.05 117.46 112.42 1o1j n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1o1j n PHE 118 Cb 0.71 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1o1j n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1j n GLY 119 N 1.45 2.43 0.19 1.37 0.00 0.37 -2.83 105.19 108.18 1o1j n GLY 119 Ca 0.03 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.73 1o1j n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1j h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.34 116.57 117.97 1o1j h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1o1j h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1o1j h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1o1j h GLU 121 N 0.00 0.00 -3.70 0.07 4.81 -1.92 -3.31 114.58 110.53 1o1j h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1o1j h GLU 121 Cb 0.15 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.37 1o1j h GLU 121 CO 0.00 0.00 1.92 0.34 -0.73 0.00 0.00 179.01 180.54 1o1j n PHE 122 N -2.94 3.25 -1.31 0.92 7.35 -0.14 -4.95 117.46 119.63 1o1j n PHE 122 Ca 0.01 -2.88 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 1o1j n PHE 122 Cb 0.31 -1.98 0.13 0.00 0.35 0.00 0.00 39.48 38.29 1o1j n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1j s THR 123 N 0.55 2.67 0.19 -2.13 -4.23 -1.25 -4.67 115.64 106.77 1o1j s THR 123 Ca 0.40 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 1o1j s THR 123 Cb 0.08 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 71.28 1o1j s THR 123 CO 0.00 -0.28 1.68 -0.65 -0.54 0.00 0.00 174.62 174.83 1o1j h PRO 124 N -1.46 0.12 -0.10 3.99 0.11 -1.94 0.59 132.00 133.31 1o1j h PRO 124 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1o1j h PRO 124 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1o1j h PRO 124 CO 0.57 0.08 -0.16 -1.35 -0.21 0.00 0.00 178.00 176.92 1o1j h PRO 125 N 0.12 0.16 -0.24 1.05 0.11 -2.00 -1.29 132.00 129.92 1o1j h PRO 125 Ca 0.27 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1o1j h PRO 125 Cb 0.41 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1o1j h PRO 125 CO -0.44 0.33 -0.27 0.28 -0.21 0.00 0.00 178.00 177.69 1o1j h VAL 126 N 0.15 1.32 -0.82 3.15 2.07 -1.64 -2.62 116.25 117.86 1o1j h VAL 126 Ca 0.03 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.17 1o1j h VAL 126 Cb 0.39 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1o1j h VAL 126 CO 0.02 0.45 0.49 -0.61 0.02 0.00 0.00 177.57 177.95 1o1j h GLN 127 N 0.32 0.84 -0.95 1.57 4.15 -0.66 -2.12 115.11 118.26 1o1j h GLN 127 Ca 0.03 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1o1j h GLN 127 Cb 0.84 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 1o1j h GLN 127 CO 0.07 0.56 0.63 0.00 -1.93 0.00 0.00 178.83 178.15 1o1j h ALA 128 N 1.41 1.22 -0.40 3.38 0.00 -1.05 0.25 119.26 124.08 1o1j h ALA 128 Ca 0.37 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1o1j h ALA 128 Cb 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1o1j h ALA 128 CO -0.20 0.56 -0.31 0.00 0.00 0.00 0.00 179.25 179.31 1o1j h ALA 129 N 1.36 0.70 -0.22 0.00 0.00 -1.16 -2.24 119.26 117.70 1o1j h ALA 129 Ca 0.36 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1o1j h ALA 129 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1o1j h ALA 129 CO -0.09 0.67 -0.25 1.88 0.00 0.00 0.00 179.25 181.46 1o1j h TYR 130 N 0.74 0.45 -0.53 0.00 0.05 -0.65 -2.25 116.97 114.79 1o1j h TYR 130 Ca 0.08 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1o1j h TYR 130 Cb 0.87 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 1o1j h TYR 130 CO 0.05 0.63 0.12 1.96 -1.05 0.00 0.00 178.16 179.87 1o1j h GLN 131 N 0.36 0.81 -0.44 4.88 1.08 -0.28 -0.05 115.11 121.48 1o1j h GLN 131 Ca 0.06 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1o1j h GLN 131 Cb 0.64 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1o1j h GLN 131 CO 0.05 0.73 0.22 0.87 -0.95 0.00 0.00 178.83 179.75 1o1j h LYS 132 N 0.78 0.63 -0.08 1.46 1.57 -1.11 -2.06 116.57 117.76 1o1j h LYS 132 Ca 0.17 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1o1j h LYS 132 Cb 0.30 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1o1j h LYS 132 CO -0.00 0.53 -0.00 0.28 -0.57 0.00 0.00 179.45 179.69 1o1j h VAL 133 N 0.57 1.26 -0.26 0.50 2.07 -0.90 0.26 116.25 119.76 1o1j h VAL 133 Ca 0.15 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1o1j h VAL 133 Cb 0.10 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1o1j h VAL 133 CO -0.02 0.23 -0.05 -0.37 0.02 0.00 0.00 177.57 177.37 1o1j h VAL 134 N -0.16 1.19 -0.50 2.57 -1.51 -1.03 0.80 116.25 117.61 1o1j h VAL 134 Ca 0.02 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.68 1o1j h VAL 134 Cb 0.36 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1o1j h VAL 134 CO 0.00 0.25 0.16 0.00 -1.23 0.00 0.00 177.57 176.76 1o1j h ALA 135 N 1.57 0.65 -0.56 5.19 0.00 -1.16 -0.78 119.26 124.17 1o1j h ALA 135 Ca 0.08 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1o1j h ALA 135 Cb 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1o1j h ALA 135 CO 0.01 0.30 0.34 0.78 0.00 0.00 0.00 179.25 180.69 1o1j h GLY 136 N 0.67 0.80 0.92 0.00 0.00 -0.09 -0.84 103.07 104.53 1o1j h GLY 136 Ca 0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1o1j h GLY 136 CO -0.01 0.22 -0.14 -2.08 0.00 0.00 0.00 176.54 174.53 1o1j h VAL 137 N 0.67 1.29 -0.67 4.60 2.07 -0.71 -0.65 116.25 122.86 1o1j h VAL 137 Ca 0.23 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1o1j h VAL 137 Cb 0.02 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1o1j h VAL 137 CO -0.10 0.40 0.43 0.00 0.02 0.00 0.00 177.57 178.33 1o1j h ALA 138 N 0.76 0.85 -0.06 1.67 0.00 -1.02 0.37 119.26 121.84 1o1j h ALA 138 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1o1j h ALA 138 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1o1j h ALA 138 CO 0.04 0.24 -0.34 -0.91 0.00 0.00 0.00 179.25 178.29 1o1j h ASN 139 N 0.88 0.11 -0.36 0.00 2.35 -1.01 -1.86 115.58 115.68 1o1j h ASN 139 Ca 0.25 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 1o1j h ASN 139 Cb -0.07 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1o1j h ASN 139 CO -0.07 0.45 -0.33 0.00 -1.65 0.00 0.00 177.43 175.82 1o1j h ALA 140 N 1.56 0.53 0.00 -0.83 0.00 -0.36 -2.63 119.26 117.53 1o1j h ALA 140 Ca 0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1o1j h ALA 140 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1o1j h ALA 140 CO 0.05 0.59 -0.29 -0.07 0.00 0.00 0.00 179.25 179.53 1o1j h LEU 141 N 0.66 0.00 -0.60 0.00 3.38 -0.71 -2.67 115.31 115.37 1o1j h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1o1j h LEU 141 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1o1j h LEU 141 CO 0.08 0.29 -0.07 0.00 0.09 0.00 0.00 178.44 178.83 1o1j n ALA 142 N -2.32 2.73 -0.21 1.53 0.00 -0.72 -4.44 120.51 117.08 1o1j n ALA 142 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1o1j n ALA 142 Cb 0.40 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.63 1o1j n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1j h HIS 143 N 1.46 1.05 -0.40 0.00 6.17 -1.11 -2.93 115.15 119.39 1o1j h HIS 143 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 60.93 1o1j h HIS 143 Cb 0.40 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.05 1o1j h HIS 143 CO 0.00 0.91 0.00 1.63 0.71 0.00 0.00 177.93 181.18 1o1j n LYS 144 N -4.30 1.97 -2.34 5.26 4.76 -1.26 -4.93 118.16 117.32 1o1j n LYS 144 Ca 0.03 -1.46 -0.40 0.00 -2.87 0.00 0.00 58.31 53.61 1o1j n LYS 144 Cb 0.29 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1o1j n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1j s TYR 145 N -1.48 3.38 0.00 2.13 1.51 -1.11 -4.77 117.35 117.02 1o1j s TYR 145 Ca 0.27 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1o1j s TYR 145 Cb 0.14 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 1o1j s TYR 145 CO 0.18 -1.03 0.00 -2.39 -1.11 0.00 0.00 175.55 171.20